2-methyl-3-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]propan-1-amine

C17H23N3 — CID 116877030

IUPAC2-methyl-3-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]propan-1-amine
SMILESCC(CN)Cc1ncc(-c2ccc3c(c2)CCCC3)[nH]1
InChIInChI=1S/C17H23N3/c1-12(10-18)8-17-19-11-16(20-17)15-7-6-13-4-2-3-5-14(13)9-15/h6-7,9,11-12H,2-5,8,10,18H2,1H3,(H,19,20)
InChIKeyOHTDZRHDRAXFPA-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.09
Rot. Bonds4

About 2-methyl-3-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]propan-1-amine

2-methyl-3-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]propan-1-amine (PubChem CID 116877030) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-methyl-3-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]propan-1-amine
PubChem CID116877030
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-methyl-3-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]propan-1-amine
SMILESCC(CN)Cc1ncc(-c2ccc3c(c2)CCCC3)[nH]1
InChIInChI=1S/C17H23N3/c1-12(10-18)8-17-19-11-16(20-17)15-7-6-13-4-2-3-5-14(13)9-15/h6-7,9,11-12H,2-5,8,10,18H2,1H3,(H,19,20)
InChIKeyOHTDZRHDRAXFPA-UHFFFAOYSA-N
XLogP3.09
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]propan-1-amine?
The IUPAC name of 2-methyl-3-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]propan-1-amine (CID 116877030) is 2-methyl-3-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]propan-1-amine?
The canonical SMILES for 2-methyl-3-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]propan-1-amine is CC(CN)Cc1ncc(-c2ccc3c(c2)CCCC3)[nH]1.
What is the InChIKey of 2-methyl-3-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]propan-1-amine?
The InChIKey is OHTDZRHDRAXFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12(10-18)8-17-19-11-16(20-17)15-7-6-13-4-2-3-5-14(13)9-15/h6-7,9,11-12H,2-5,8,10,18H2,1H3,(H,19,20).
What are the key properties of 2-methyl-3-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]propan-1-amine?
2-methyl-3-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]propan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]propan-1-amine is sourced from PubChem (CID 116877030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).